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Browsing by Author Rubio Secades, Ángel

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Issue DateTitleAuthor(s)Type
Dec-2010A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubesBlauwe, Katrien D.; Shiozawa, H.; Mowbray, D. J.; Rubio Secades, Ángel; Hofmann, Ph.; Pichler, ThomasArtículo
2011A molecular dynamics study of water nucleation using the TIP4P/2005 modelPérez Paz, Alejandro; Rubio Secades, ÁngelArtículo
24-Aug-2009Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlationPalummo, Maurizia; Hogan, Conor; Sottile, Francesco; Bagalá, Paolo; Rubio Secades, ÁngelArtículo
2010Ab initio modelling of the excited state dynamics of clusters and nanostructures with time-dependent density-functional theory: linear and nonlinear regimesAlonso, J. A.; Castro, Alberto; Rubio Secades, ÁngelCapítulo de libro
2010Ab initio molecular dynamics on the electronic Boltzmann equilibrium distributionAlonso, José Luis; Castro, Alberto; Echenique, Pablo; Polo, Víctor; Rubio Secades, Ángel; Zueco, DavidArtículo
24-Jun-2008Ab initio study of transport properties in defected carbon nanotubes: an O(N) approachBiel, Blanca; García-Vidal, F. J.; Rubio Secades, Ángel; Flores, FernandoArtículo
2012Ab-initio simulation of helium-ion microscopy images: The case of suspended grapheneZhang, Hong; Miyamoto, Yoshiyuki; Rubio Secades, ÁngelArtículo
2011Anisotropic excitonic effects in the energy loss function of hexagonal boron nitrideGalambosi, S.; Wirtz, Ludger; Marini, Andrea; Taniguchi, M.; Rubio Secades, ÁngelArtículo
2012Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layersSong, Li; Mowbray, D. J.; Kurth, S.; Louie, Steven G.; Rubio Secades, Ángel; Ajayan, Pulickel M.Artículo
2012Artificially stacked atomic layers: Toward new van der Waals solidsCannuccia, E.; Yin, Yansheng; Rubio Secades, Ángel; Ajayan, Pulickel M.Artículo
2011Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophoresHuix-Rotllant, M.; Ipatov, A.; Rubio Secades, Ángel; Casida, Mark E.Artículo
2013Atomic and electronic properties of quasi-one-dimensional MoS2 nanowiresFernandez Seivane, Lucas; Barron, Hector; Botti, Silvana; Lopes Marques, Miguel Alexandre; Rubio Secades, Ángel; López-Lozano, XóchitlArtículo
2014Band alignment and local structure of CIGS alloys from combining X-ray absorption spectroscopy and ab initio calculationsSarmiento-Pérez, Rafael; Botti, Silvana; Schnohr, Claudia S.; Lauermann, Iver; Rubio Secades, Ángel; Johnson, BenjaminArtículo
2010Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space gridsVila, Fernando D.; Andrade, Xavier; Rubio Secades, ÁngelArtículo
2012Benchmark of GW methods for azabenzenesMarom, Noa; Caruso, Fabio; Ren, Xinguo; Rubio Secades, Ángel; Scheffler, Matthias; Rinke, PatrickArtículo
2013Bond breaking and bond formation: How electron correlation is captured in many-body perturbation theory and density-functional theoryCaruso, Fabio; Rohr, Daniel R.; Hellgren, Maria; Ren, Xinguo; Rinke, Patrick; Rubio Secades, Ángel; Scheffler, MatthiasArtículo
Apr-2010Carbon nanotube based sensors and fluctuation enhanced sensingKukovecz, Ákos; Rubio Secades, ÁngelArtículo
2013Carbon nanotubes as heat dissipaters in microelectronicsPérez Paz, Alejandro; García-Lastra, J. M.; Markussen, Troels; Thygesen, Kristian S.; Rubio Secades, ÁngelArtículo
2012Challenges in truncating the hierarchy of time-dependent reduced density matrices equationsAkbari, A.; Hashemi, M. J.; Rubio Secades, Ángel; Nieminen, R. M.; Leeuwen, R. vanArtículo
2012Channeling of charge carrier plasmons in carbon nanotubesKramberger, C.; Roth, Friedrich; Knupfer, M.; Mowbray, D. J.; Rubio Secades, Ángel; Pichler, ThomasArtículo

Showing results 1 to 20 of 133